2-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-methyl-quinazolin-4-one

Systemtic Name: 2-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-3-methyl-quinazolin-4-one Openeye Name: 2-[2-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-methyl-quinazolin-4-one CAS Name: 2-[[2-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-oxoethyl]thio]-3-methyl-4-quinazolinone IUPAC Name: 2-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one Traditional Name: 2-[[2-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-methyl-quinazolin-4-one Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C22H27N3O2S/c1-14(2)10-11-25-15(3)12-18(16(25)4)20(26)13-28-22-23-19-9-7-6-8-17(19)21(27)24(22)5/h6-9,12,14H,10-11,13H2,1-5H3